N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[4-[5-(hydroxymethyl)-2-furyl]phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[4-[5-(hydroxymethyl)-2-furanyl]phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[4-(5-methylol-2-furyl)phenyl]-4-morpholino-3-nitro-benzamide Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C4=CC=C(O4)CO)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C4=CC=C(O4)CO)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O6/c26-14-18-6-8-21(31-18)15-1-4-17(5-2-15)23-22(27)16-3-7-19(20(13-16)25(28)29)24-9-11-30-12-10-24/h1-8,13,26H,9-12,14H2,(H,23,27)